SCHEMBL7873796

SCHEMBL7873796

COc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)NCCCc3nccn3Cc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
SGMS1 Q86VZ5 3/20 0.47
AKT1 P31749 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
AKR1C3 P42330 1/20 0.41
CYP19A1 P11511 1/20 0.40
TBXA2R P21731 1/20 0.40
TBXAS1 P24557 1/20 0.40
ALOX15B O15296 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7879600 0.78 HSP90AA1 (0.47) ALDH1A1
SCHEMBL7877387 0.77 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2SGMS1LMNA
SCHEMBL7873778 0.76 CYP19A1 (0.54) ALDH1A1POLBSMN1; SMN2LMNAHTT
SCHEMBL9020952 0.76 ALDH1A1 (0.53) ALDH1A1POLBSMN1; SMN2SGMS1AKR1C3
SCHEMBL7109149 0.73 ALDH1A1 (1.00) ALDH1A1POLBSMN1; SMN2SGMS1AKR1C3
SCHEMBL9372954 0.72 SIGMAR1 (0.53) ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL7868628 0.71 ALDH1A1 (0.77) ALDH1A1POLBSMN1; SMN2SGMS1LMNA
SCHEMBL7879555 0.71 TDP1 (0.47) ALDH1A1POLBSMN1; SMN2LMNAHTT
SCHEMBL29260159 0.71 ALDH1A1 (0.81) ALDH1A1POLBSMN1; SMN2SGMS1LMNA
SCHEMBL7873784 0.70 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed